USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 SER OG : rot -170:sc= 0.0183 USER MOD Set 1.2: A 68 ASN : amide:sc= 2 K(o=2,f=-3.8!) USER MOD Set 2.1: A 18 THR OG1 : rot -160:sc= -0.0765 USER MOD Set 2.2: A 21 ASN : amide:sc= 1.18 K(o=1.1,f=-1.7) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= -0.268 USER MOD Single : A 5 TYR OH : rot -132:sc= 0.95 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -137:sc= 0.00559 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.25) USER MOD Single : A 13 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.22) USER MOD Single : A 16 CYS SG : rot 120:sc= -1.57 USER MOD Single : A 19 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.87) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 173:sc= -1.91 (180deg=-2.06) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc=0.000747 USER MOD Single : A 34 SER OG : rot 90:sc= 1.27 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 2.01 (180deg=1.66) USER MOD Single : A 38 ASN : amide:sc= 0.982 K(o=0.98,f=-0.15) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.761 (180deg=0.342) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 1.2 (180deg=0.952) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0.92 (180deg=0.825) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.833 K(o=-0.83,f=-6.5!) USER MOD Single : A 60 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.3) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0278 (180deg=-0.214) USER MOD Single : A 72 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.0046) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 11.360 0.187 -1.664 1.00 0.00 N ATOM 2 CA GLY A -1 10.669 0.536 -2.890 1.00 0.00 C ATOM 3 C GLY A -1 10.443 2.016 -2.968 1.00 0.00 C ATOM 4 O GLY A -1 11.359 2.809 -2.712 1.00 0.00 O ATOM 0 H1 GLY A -1 12.100 -0.515 -1.870 1.00 0.00 H new ATOM 0 H2 GLY A -1 11.795 1.039 -1.256 1.00 0.00 H new ATOM 0 H3 GLY A -1 10.682 -0.214 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A -1 11.253 0.207 -3.749 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.713 0.014 -2.936 1.00 0.00 H new ATOM 8 N SER A 0 9.247 2.402 -3.299 1.00 0.00 N ATOM 9 CA SER A 0 8.883 3.782 -3.405 1.00 0.00 C ATOM 10 C SER A 0 7.445 3.940 -2.900 1.00 0.00 C ATOM 11 O SER A 0 6.771 2.948 -2.622 1.00 0.00 O ATOM 12 CB SER A 0 9.008 4.247 -4.867 1.00 0.00 C ATOM 13 OG SER A 0 10.323 4.019 -5.378 1.00 0.00 O ATOM 0 H SER A 0 8.485 1.756 -3.506 1.00 0.00 H new ATOM 0 HA SER A 0 9.549 4.399 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.281 3.717 -5.482 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.769 5.308 -4.934 1.00 0.00 H new ATOM 0 HG SER A 0 10.370 4.323 -6.308 1.00 0.00 H new ATOM 19 N MET A 1 6.978 5.156 -2.821 1.00 0.00 N ATOM 20 CA MET A 1 5.633 5.459 -2.316 1.00 0.00 C ATOM 21 C MET A 1 4.616 5.449 -3.481 1.00 0.00 C ATOM 22 O MET A 1 3.423 5.726 -3.290 1.00 0.00 O ATOM 23 CB MET A 1 5.671 6.858 -1.675 1.00 0.00 C ATOM 24 CG MET A 1 4.416 7.279 -0.928 1.00 0.00 C ATOM 25 SD MET A 1 4.163 6.349 0.602 1.00 0.00 S ATOM 26 CE MET A 1 2.643 7.095 1.197 1.00 0.00 C ATOM 0 H MET A 1 7.509 5.980 -3.102 1.00 0.00 H new ATOM 0 HA MET A 1 5.329 4.711 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.513 6.897 -0.984 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.868 7.590 -2.458 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.477 8.342 -0.695 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.551 7.144 -1.577 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.353 6.628 2.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.799 8.162 1.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.853 6.948 0.460 1.00 0.00 H new ATOM 36 N SER A 2 5.109 5.067 -4.656 1.00 0.00 N ATOM 37 CA SER A 2 4.384 5.147 -5.931 1.00 0.00 C ATOM 38 C SER A 2 4.235 6.611 -6.287 1.00 0.00 C ATOM 39 O SER A 2 3.236 7.260 -5.948 1.00 0.00 O ATOM 40 CB SER A 2 3.038 4.407 -5.909 1.00 0.00 C ATOM 41 OG SER A 2 3.217 3.046 -5.528 1.00 0.00 O ATOM 0 H SER A 2 6.048 4.682 -4.756 1.00 0.00 H new ATOM 0 HA SER A 2 4.958 4.633 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.359 4.898 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.574 4.456 -6.894 1.00 0.00 H new ATOM 0 HG SER A 2 2.349 2.592 -5.518 1.00 0.00 H new ATOM 47 N TYR A 3 5.284 7.125 -6.939 1.00 0.00 N ATOM 48 CA TYR A 3 5.490 8.552 -7.143 1.00 0.00 C ATOM 49 C TYR A 3 5.737 9.228 -5.802 1.00 0.00 C ATOM 50 O TYR A 3 5.892 8.570 -4.768 1.00 0.00 O ATOM 51 CB TYR A 3 4.331 9.273 -7.882 1.00 0.00 C ATOM 52 CG TYR A 3 4.274 9.111 -9.382 1.00 0.00 C ATOM 53 CD1 TYR A 3 5.018 9.944 -10.217 1.00 0.00 C ATOM 54 CD2 TYR A 3 3.453 8.170 -9.967 1.00 0.00 C ATOM 55 CE1 TYR A 3 4.940 9.829 -11.595 1.00 0.00 C ATOM 56 CE2 TYR A 3 3.372 8.046 -11.334 1.00 0.00 C ATOM 57 CZ TYR A 3 4.115 8.875 -12.145 1.00 0.00 C ATOM 58 OH TYR A 3 4.024 8.747 -13.520 1.00 0.00 O ATOM 0 H TYR A 3 6.021 6.548 -7.343 1.00 0.00 H new ATOM 0 HA TYR A 3 6.359 8.637 -7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.389 8.916 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.396 10.338 -7.658 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.666 10.691 -9.782 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.863 7.518 -9.340 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.520 10.481 -12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 3 2.726 7.299 -11.771 1.00 0.00 H new ATOM 0 HH TYR A 3 3.398 8.026 -13.741 1.00 0.00 H new ATOM 68 N ASP A 4 5.846 10.503 -5.843 1.00 0.00 N ATOM 69 CA ASP A 4 5.938 11.327 -4.679 1.00 0.00 C ATOM 70 C ASP A 4 5.542 12.659 -5.171 1.00 0.00 C ATOM 71 O ASP A 4 5.829 12.976 -6.335 1.00 0.00 O ATOM 72 CB ASP A 4 7.349 11.384 -4.080 1.00 0.00 C ATOM 73 CG ASP A 4 7.338 12.001 -2.688 1.00 0.00 C ATOM 74 OD1 ASP A 4 7.498 11.261 -1.699 1.00 0.00 O ATOM 75 OD2 ASP A 4 7.118 13.213 -2.553 1.00 0.00 O ATOM 0 H ASP A 4 5.875 11.029 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 4 5.314 10.940 -3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.766 10.378 -4.030 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.000 11.966 -4.732 1.00 0.00 H new ATOM 80 N TYR A 5 4.852 13.407 -4.378 1.00 0.00 N ATOM 81 CA TYR A 5 4.321 14.660 -4.823 1.00 0.00 C ATOM 82 C TYR A 5 4.653 15.743 -3.833 1.00 0.00 C ATOM 83 O TYR A 5 3.977 16.743 -3.805 1.00 0.00 O ATOM 84 CB TYR A 5 2.788 14.554 -4.951 1.00 0.00 C ATOM 85 CG TYR A 5 2.310 13.408 -5.808 1.00 0.00 C ATOM 86 CD1 TYR A 5 2.094 13.562 -7.170 1.00 0.00 C ATOM 87 CD2 TYR A 5 2.072 12.167 -5.244 1.00 0.00 C ATOM 88 CE1 TYR A 5 1.645 12.504 -7.939 1.00 0.00 C ATOM 89 CE2 TYR A 5 1.637 11.118 -5.998 1.00 0.00 C ATOM 90 CZ TYR A 5 1.419 11.284 -7.344 1.00 0.00 C ATOM 91 OH TYR A 5 0.948 10.221 -8.084 1.00 0.00 O ATOM 0 H TYR A 5 4.639 13.173 -3.408 1.00 0.00 H new ATOM 0 HA TYR A 5 4.761 14.905 -5.790 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.359 14.449 -3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.405 15.486 -5.366 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.279 14.519 -7.635 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.234 12.027 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.473 12.634 -8.997 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.464 10.157 -5.537 1.00 0.00 H new ATOM 0 HH TYR A 5 0.197 9.802 -7.614 1.00 0.00 H new ATOM 101 N SER A 6 5.718 15.555 -3.053 1.00 0.00 N ATOM 102 CA SER A 6 6.123 16.499 -2.000 1.00 0.00 C ATOM 103 C SER A 6 6.145 17.962 -2.495 1.00 0.00 C ATOM 104 O SER A 6 5.562 18.852 -1.857 1.00 0.00 O ATOM 105 CB SER A 6 7.495 16.091 -1.431 1.00 0.00 C ATOM 106 OG SER A 6 7.915 16.956 -0.389 1.00 0.00 O ATOM 0 H SER A 6 6.329 14.742 -3.131 1.00 0.00 H new ATOM 0 HA SER A 6 5.375 16.451 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.443 15.069 -1.055 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.236 16.099 -2.230 1.00 0.00 H new ATOM 0 HG SER A 6 8.788 16.664 -0.053 1.00 0.00 H new ATOM 112 N SER A 7 6.754 18.183 -3.649 1.00 0.00 N ATOM 113 CA SER A 7 6.869 19.501 -4.244 1.00 0.00 C ATOM 114 C SER A 7 5.478 20.098 -4.557 1.00 0.00 C ATOM 115 O SER A 7 5.247 21.300 -4.395 1.00 0.00 O ATOM 116 CB SER A 7 7.685 19.356 -5.517 1.00 0.00 C ATOM 117 OG SER A 7 8.856 18.589 -5.243 1.00 0.00 O ATOM 0 H SER A 7 7.186 17.444 -4.203 1.00 0.00 H new ATOM 0 HA SER A 7 7.357 20.183 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.090 18.869 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.961 20.339 -5.899 1.00 0.00 H new ATOM 0 HG SER A 7 9.459 18.626 -6.014 1.00 0.00 H new ATOM 123 N LEU A 8 4.558 19.237 -4.938 1.00 0.00 N ATOM 124 CA LEU A 8 3.219 19.636 -5.317 1.00 0.00 C ATOM 125 C LEU A 8 2.355 19.797 -4.117 1.00 0.00 C ATOM 126 O LEU A 8 1.634 20.767 -4.003 1.00 0.00 O ATOM 127 CB LEU A 8 2.614 18.593 -6.242 1.00 0.00 C ATOM 128 CG LEU A 8 1.160 18.814 -6.673 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.961 20.172 -7.322 1.00 0.00 C ATOM 130 CD2 LEU A 8 0.729 17.711 -7.600 1.00 0.00 C ATOM 0 H LEU A 8 4.720 18.232 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 8 3.280 20.594 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.230 18.536 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.679 17.623 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 8 0.537 18.794 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.083 20.287 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.230 20.956 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.594 20.249 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.305 17.874 -7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.369 17.706 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.811 16.752 -7.088 1.00 0.00 H new ATOM 142 N LEU A 9 2.437 18.846 -3.238 1.00 0.00 N ATOM 143 CA LEU A 9 1.668 18.787 -2.047 1.00 0.00 C ATOM 144 C LEU A 9 1.865 20.085 -1.241 1.00 0.00 C ATOM 145 O LEU A 9 0.895 20.672 -0.729 1.00 0.00 O ATOM 146 CB LEU A 9 2.158 17.557 -1.297 1.00 0.00 C ATOM 147 CG LEU A 9 1.285 16.920 -0.238 1.00 0.00 C ATOM 148 CD1 LEU A 9 1.115 17.783 1.005 1.00 0.00 C ATOM 149 CD2 LEU A 9 -0.055 16.492 -0.805 1.00 0.00 C ATOM 0 H LEU A 9 3.074 18.056 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 9 0.598 18.705 -2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.378 16.790 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.103 17.822 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 9 1.815 16.025 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.478 17.266 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.090 17.970 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.655 18.732 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.656 16.039 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.576 17.362 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.103 15.767 -1.603 1.00 0.00 H new ATOM 161 N GLY A 10 3.113 20.547 -1.184 1.00 0.00 N ATOM 162 CA GLY A 10 3.424 21.784 -0.505 1.00 0.00 C ATOM 163 C GLY A 10 2.728 22.967 -1.145 1.00 0.00 C ATOM 164 O GLY A 10 2.192 23.836 -0.449 1.00 0.00 O ATOM 0 H GLY A 10 3.917 20.078 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.126 21.709 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.502 21.945 -0.519 1.00 0.00 H new ATOM 168 N LYS A 11 2.672 22.960 -2.468 1.00 0.00 N ATOM 169 CA LYS A 11 2.063 23.997 -3.230 1.00 0.00 C ATOM 170 C LYS A 11 0.525 23.931 -3.108 1.00 0.00 C ATOM 171 O LYS A 11 -0.146 24.969 -3.026 1.00 0.00 O ATOM 172 CB LYS A 11 2.531 23.869 -4.682 1.00 0.00 C ATOM 173 CG LYS A 11 1.942 24.888 -5.619 1.00 0.00 C ATOM 174 CD LYS A 11 2.229 26.314 -5.170 1.00 0.00 C ATOM 175 CE LYS A 11 3.705 26.647 -5.235 1.00 0.00 C ATOM 176 NZ LYS A 11 4.009 27.856 -4.457 1.00 0.00 N ATOM 0 H LYS A 11 3.062 22.209 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 11 2.363 24.973 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.617 23.954 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.280 22.872 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.346 24.736 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.864 24.739 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.673 27.010 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.872 26.451 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.287 25.809 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.002 26.794 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.907 28.265 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.245 28.551 -4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.090 27.609 -3.450 1.00 0.00 H new ATOM 190 N ILE A 12 -0.017 22.713 -3.066 1.00 0.00 N ATOM 191 CA ILE A 12 -1.457 22.483 -2.875 1.00 0.00 C ATOM 192 C ILE A 12 -1.899 23.121 -1.569 1.00 0.00 C ATOM 193 O ILE A 12 -2.949 23.769 -1.485 1.00 0.00 O ATOM 194 CB ILE A 12 -1.799 20.954 -2.841 1.00 0.00 C ATOM 195 CG1 ILE A 12 -1.487 20.290 -4.190 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.258 20.722 -2.455 1.00 0.00 C ATOM 197 CD1 ILE A 12 -1.753 18.792 -4.226 1.00 0.00 C ATOM 0 H ILE A 12 0.527 21.855 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.984 22.931 -3.718 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.170 20.493 -2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.083 20.772 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.440 20.467 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.465 19.652 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.444 21.141 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.908 21.207 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.507 18.402 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.138 18.295 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.806 18.604 -4.014 1.00 0.00 H new ATOM 209 N THR A 13 -1.053 22.997 -0.585 1.00 0.00 N ATOM 210 CA THR A 13 -1.313 23.522 0.729 1.00 0.00 C ATOM 211 C THR A 13 -1.332 25.057 0.705 1.00 0.00 C ATOM 212 O THR A 13 -2.125 25.700 1.405 1.00 0.00 O ATOM 213 CB THR A 13 -0.218 23.078 1.695 1.00 0.00 C ATOM 214 OG1 THR A 13 -0.037 21.638 1.621 1.00 0.00 O ATOM 215 CG2 THR A 13 -0.592 23.458 3.114 1.00 0.00 C ATOM 0 H THR A 13 -0.154 22.524 -0.672 1.00 0.00 H new ATOM 0 HA THR A 13 -2.283 23.145 1.053 1.00 0.00 H new ATOM 0 HB THR A 13 0.711 23.575 1.416 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.404 21.407 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.195 23.137 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.712 24.539 3.181 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.529 22.971 3.386 1.00 0.00 H new ATOM 223 N GLU A 14 -0.502 25.621 -0.139 1.00 0.00 N ATOM 224 CA GLU A 14 -0.337 27.038 -0.213 1.00 0.00 C ATOM 225 C GLU A 14 -1.460 27.698 -0.972 1.00 0.00 C ATOM 226 O GLU A 14 -1.834 28.839 -0.684 1.00 0.00 O ATOM 227 CB GLU A 14 0.959 27.367 -0.884 1.00 0.00 C ATOM 228 CG GLU A 14 2.221 27.069 -0.118 1.00 0.00 C ATOM 229 CD GLU A 14 3.438 27.447 -0.924 1.00 0.00 C ATOM 230 OE1 GLU A 14 3.702 26.806 -1.958 1.00 0.00 O ATOM 231 OE2 GLU A 14 4.149 28.406 -0.557 1.00 0.00 O ATOM 0 H GLU A 14 0.079 25.099 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.344 27.417 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.999 26.823 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.954 28.429 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.218 27.618 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.259 26.008 0.131 1.00 0.00 H new ATOM 238 N LYS A 15 -1.992 27.002 -1.934 1.00 0.00 N ATOM 239 CA LYS A 15 -2.983 27.540 -2.761 1.00 0.00 C ATOM 240 C LYS A 15 -4.322 27.248 -2.207 1.00 0.00 C ATOM 241 O LYS A 15 -5.087 28.143 -1.875 1.00 0.00 O ATOM 242 CB LYS A 15 -2.868 26.920 -4.142 1.00 0.00 C ATOM 243 CG LYS A 15 -2.633 27.928 -5.201 1.00 0.00 C ATOM 244 CD LYS A 15 -1.281 28.577 -5.038 1.00 0.00 C ATOM 245 CE LYS A 15 -1.236 29.819 -5.888 1.00 0.00 C ATOM 246 NZ LYS A 15 0.009 30.583 -5.758 1.00 0.00 N ATOM 0 H LYS A 15 -1.735 26.039 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.851 28.620 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.051 26.198 -4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.781 26.369 -4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.697 27.454 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.413 28.689 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.106 28.829 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.492 27.886 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.371 29.538 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.075 30.461 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.026 31.413 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.123 30.897 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.815 29.982 -6.025 1.00 0.00 H new ATOM 260 N CYS A 16 -4.548 26.006 -1.991 1.00 0.00 N ATOM 261 CA CYS A 16 -5.798 25.531 -1.706 1.00 0.00 C ATOM 262 C CYS A 16 -5.919 25.258 -0.249 1.00 0.00 C ATOM 263 O CYS A 16 -6.882 25.661 0.368 1.00 0.00 O ATOM 264 CB CYS A 16 -5.988 24.277 -2.512 1.00 0.00 C ATOM 265 SG CYS A 16 -5.856 24.524 -4.295 1.00 0.00 S ATOM 0 H CYS A 16 -3.824 25.288 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.567 26.261 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.246 23.542 -2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.968 23.856 -2.285 1.00 0.00 H new ATOM 0 HG CYS A 16 -4.885 23.798 -4.763 1.00 0.00 H new ATOM 271 N GLY A 17 -4.930 24.616 0.321 1.00 0.00 N ATOM 272 CA GLY A 17 -5.036 24.251 1.668 1.00 0.00 C ATOM 273 C GLY A 17 -4.807 22.799 1.845 1.00 0.00 C ATOM 274 O GLY A 17 -3.834 22.374 2.456 1.00 0.00 O ATOM 0 H GLY A 17 -4.060 24.348 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.311 24.811 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.025 24.515 2.043 1.00 0.00 H new ATOM 278 N THR A 18 -5.685 22.043 1.271 1.00 0.00 N ATOM 279 CA THR A 18 -5.675 20.602 1.362 1.00 0.00 C ATOM 280 C THR A 18 -6.006 20.032 -0.012 1.00 0.00 C ATOM 281 O THR A 18 -6.356 20.795 -0.929 1.00 0.00 O ATOM 282 CB THR A 18 -6.756 20.125 2.369 1.00 0.00 C ATOM 283 OG1 THR A 18 -8.057 20.501 1.888 1.00 0.00 O ATOM 284 CG2 THR A 18 -6.534 20.757 3.732 1.00 0.00 C ATOM 0 H THR A 18 -6.453 22.411 0.709 1.00 0.00 H new ATOM 0 HA THR A 18 -4.695 20.265 1.699 1.00 0.00 H new ATOM 0 HB THR A 18 -6.687 19.041 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.695 20.497 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.302 20.410 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.551 20.473 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.589 21.842 3.643 1.00 0.00 H new ATOM 292 N GLN A 19 -5.941 18.710 -0.155 1.00 0.00 N ATOM 293 CA GLN A 19 -6.276 18.046 -1.423 1.00 0.00 C ATOM 294 C GLN A 19 -7.764 18.101 -1.667 1.00 0.00 C ATOM 295 O GLN A 19 -8.246 17.992 -2.793 1.00 0.00 O ATOM 296 CB GLN A 19 -5.781 16.598 -1.467 1.00 0.00 C ATOM 297 CG GLN A 19 -4.276 16.472 -1.499 1.00 0.00 C ATOM 298 CD GLN A 19 -3.590 16.714 -0.165 1.00 0.00 C ATOM 299 OE1 GLN A 19 -3.216 17.841 0.170 1.00 0.00 O ATOM 300 NE2 GLN A 19 -3.416 15.668 0.597 1.00 0.00 N ATOM 0 H GLN A 19 -5.660 18.073 0.590 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.762 18.587 -2.217 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.163 16.066 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.197 16.108 -2.347 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.016 15.473 -1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.881 17.179 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.739 14.752 0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.957 15.767 1.503 1.00 0.00 H new ATOM 309 N TYR A 20 -8.457 18.289 -0.598 1.00 0.00 N ATOM 310 CA TYR A 20 -9.901 18.449 -0.588 1.00 0.00 C ATOM 311 C TYR A 20 -10.226 19.770 -1.286 1.00 0.00 C ATOM 312 O TYR A 20 -10.985 19.823 -2.238 1.00 0.00 O ATOM 313 CB TYR A 20 -10.358 18.526 0.861 1.00 0.00 C ATOM 314 CG TYR A 20 -11.819 18.259 1.119 1.00 0.00 C ATOM 315 CD1 TYR A 20 -12.204 17.091 1.747 1.00 0.00 C ATOM 316 CD2 TYR A 20 -12.801 19.171 0.765 1.00 0.00 C ATOM 317 CE1 TYR A 20 -13.523 16.829 2.023 1.00 0.00 C ATOM 318 CE2 TYR A 20 -14.132 18.914 1.031 1.00 0.00 C ATOM 319 CZ TYR A 20 -14.483 17.738 1.666 1.00 0.00 C ATOM 320 OH TYR A 20 -15.800 17.478 1.961 1.00 0.00 O ATOM 0 H TYR A 20 -8.038 18.340 0.331 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.397 17.620 -1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.773 17.813 1.442 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.120 19.519 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.452 16.368 2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.522 20.093 0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.802 15.911 2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.892 19.626 0.745 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.358 18.218 1.644 1.00 0.00 H new ATOM 330 N ASN A 21 -9.596 20.818 -0.795 1.00 0.00 N ATOM 331 CA ASN A 21 -9.731 22.188 -1.321 1.00 0.00 C ATOM 332 C ASN A 21 -9.245 22.256 -2.774 1.00 0.00 C ATOM 333 O ASN A 21 -9.794 22.993 -3.608 1.00 0.00 O ATOM 334 CB ASN A 21 -8.873 23.126 -0.480 1.00 0.00 C ATOM 335 CG ASN A 21 -9.333 23.326 0.966 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.066 22.511 1.540 1.00 0.00 O ATOM 337 ND2 ASN A 21 -8.847 24.367 1.580 1.00 0.00 N ATOM 0 H ASN A 21 -8.958 20.754 -0.001 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.780 22.480 -1.279 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.853 22.743 -0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.842 24.099 -0.970 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.068 24.529 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.245 25.020 1.078 1.00 0.00 H new ATOM 344 N PHE A 22 -8.189 21.507 -3.038 1.00 0.00 N ATOM 345 CA PHE A 22 -7.577 21.345 -4.367 1.00 0.00 C ATOM 346 C PHE A 22 -8.640 20.910 -5.356 1.00 0.00 C ATOM 347 O PHE A 22 -8.861 21.552 -6.390 1.00 0.00 O ATOM 348 CB PHE A 22 -6.516 20.255 -4.231 1.00 0.00 C ATOM 349 CG PHE A 22 -5.640 19.976 -5.425 1.00 0.00 C ATOM 350 CD1 PHE A 22 -4.862 20.965 -5.993 1.00 0.00 C ATOM 351 CD2 PHE A 22 -5.564 18.696 -5.941 1.00 0.00 C ATOM 352 CE1 PHE A 22 -4.028 20.679 -7.060 1.00 0.00 C ATOM 353 CE2 PHE A 22 -4.738 18.406 -7.007 1.00 0.00 C ATOM 354 CZ PHE A 22 -3.968 19.400 -7.566 1.00 0.00 C ATOM 0 H PHE A 22 -7.709 20.971 -2.315 1.00 0.00 H new ATOM 0 HA PHE A 22 -7.135 22.276 -4.722 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.869 20.520 -3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.021 19.327 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.905 21.971 -5.601 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.161 17.910 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.423 21.460 -7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.696 17.402 -7.402 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.318 19.177 -8.400 1.00 0.00 H new ATOM 364 N ALA A 23 -9.317 19.842 -4.985 1.00 0.00 N ATOM 365 CA ALA A 23 -10.423 19.260 -5.751 1.00 0.00 C ATOM 366 C ALA A 23 -11.467 20.316 -6.106 1.00 0.00 C ATOM 367 O ALA A 23 -11.903 20.394 -7.245 1.00 0.00 O ATOM 368 CB ALA A 23 -11.086 18.168 -4.930 1.00 0.00 C ATOM 0 H ALA A 23 -9.116 19.336 -4.123 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.016 18.849 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.909 17.734 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.356 17.392 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.470 18.593 -4.002 1.00 0.00 H new ATOM 374 N ILE A 24 -11.822 21.145 -5.130 1.00 0.00 N ATOM 375 CA ILE A 24 -12.831 22.191 -5.276 1.00 0.00 C ATOM 376 C ILE A 24 -12.450 23.170 -6.383 1.00 0.00 C ATOM 377 O ILE A 24 -13.258 23.484 -7.266 1.00 0.00 O ATOM 378 CB ILE A 24 -12.958 22.978 -3.962 1.00 0.00 C ATOM 379 CG1 ILE A 24 -13.208 22.027 -2.794 1.00 0.00 C ATOM 380 CG2 ILE A 24 -14.064 24.036 -4.045 1.00 0.00 C ATOM 381 CD1 ILE A 24 -14.479 21.224 -2.877 1.00 0.00 C ATOM 0 H ILE A 24 -11.410 21.109 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.776 21.709 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.016 23.500 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.367 21.338 -2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.224 22.608 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -14.126 24.573 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.836 24.738 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.018 23.550 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -14.561 20.581 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.334 21.899 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.463 20.609 -3.777 1.00 0.00 H new ATOM 393 N ALA A 25 -11.206 23.611 -6.346 1.00 0.00 N ATOM 394 CA ALA A 25 -10.688 24.580 -7.307 1.00 0.00 C ATOM 395 C ALA A 25 -10.602 23.989 -8.710 1.00 0.00 C ATOM 396 O ALA A 25 -10.727 24.701 -9.707 1.00 0.00 O ATOM 397 CB ALA A 25 -9.325 25.078 -6.863 1.00 0.00 C ATOM 0 H ALA A 25 -10.523 23.310 -5.651 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.383 25.419 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.948 25.800 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.412 25.555 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.635 24.237 -6.796 1.00 0.00 H new ATOM 403 N MET A 26 -10.389 22.698 -8.777 1.00 0.00 N ATOM 404 CA MET A 26 -10.281 21.994 -10.048 1.00 0.00 C ATOM 405 C MET A 26 -11.652 21.592 -10.585 1.00 0.00 C ATOM 406 O MET A 26 -11.853 21.469 -11.801 1.00 0.00 O ATOM 407 CB MET A 26 -9.408 20.755 -9.890 1.00 0.00 C ATOM 408 CG MET A 26 -7.958 21.052 -9.556 1.00 0.00 C ATOM 409 SD MET A 26 -6.965 19.562 -9.398 1.00 0.00 S ATOM 410 CE MET A 26 -7.102 18.887 -11.049 1.00 0.00 C ATOM 0 H MET A 26 -10.285 22.099 -7.958 1.00 0.00 H new ATOM 0 HA MET A 26 -9.822 22.675 -10.765 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.828 20.126 -9.105 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.445 20.178 -10.814 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.533 21.687 -10.333 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.912 21.615 -8.624 1.00 0.00 H new ATOM 0 HE1 MET A 26 -6.439 18.027 -11.147 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.131 18.575 -11.230 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.820 19.647 -11.777 1.00 0.00 H new ATOM 420 N GLY A 27 -12.583 21.394 -9.687 1.00 0.00 N ATOM 421 CA GLY A 27 -13.910 20.975 -10.062 1.00 0.00 C ATOM 422 C GLY A 27 -14.041 19.478 -9.991 1.00 0.00 C ATOM 423 O GLY A 27 -14.810 18.867 -10.729 1.00 0.00 O ATOM 0 H GLY A 27 -12.445 21.517 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.642 21.440 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.131 21.316 -11.074 1.00 0.00 H new ATOM 427 N LEU A 28 -13.289 18.896 -9.101 1.00 0.00 N ATOM 428 CA LEU A 28 -13.256 17.470 -8.905 1.00 0.00 C ATOM 429 C LEU A 28 -13.883 17.117 -7.594 1.00 0.00 C ATOM 430 O LEU A 28 -14.174 17.988 -6.768 1.00 0.00 O ATOM 431 CB LEU A 28 -11.810 16.975 -8.873 1.00 0.00 C ATOM 432 CG LEU A 28 -10.996 17.110 -10.147 1.00 0.00 C ATOM 433 CD1 LEU A 28 -9.606 16.589 -9.910 1.00 0.00 C ATOM 434 CD2 LEU A 28 -11.635 16.318 -11.241 1.00 0.00 C ATOM 0 H LEU A 28 -12.667 19.409 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.800 17.005 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.288 17.512 -8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.821 15.922 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.953 18.160 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.020 16.685 -10.824 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.133 17.164 -9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.655 15.540 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.047 16.418 -12.154 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.680 15.268 -10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.645 16.689 -11.417 1.00 0.00 H new ATOM 446 N SER A 29 -14.113 15.863 -7.414 1.00 0.00 N ATOM 447 CA SER A 29 -14.525 15.348 -6.159 1.00 0.00 C ATOM 448 C SER A 29 -13.250 14.857 -5.503 1.00 0.00 C ATOM 449 O SER A 29 -12.428 14.233 -6.194 1.00 0.00 O ATOM 450 CB SER A 29 -15.499 14.215 -6.384 1.00 0.00 C ATOM 451 OG SER A 29 -16.583 14.646 -7.213 1.00 0.00 O ATOM 0 H SER A 29 -14.018 15.158 -8.145 1.00 0.00 H new ATOM 0 HA SER A 29 -15.030 16.085 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.987 13.374 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.883 13.862 -5.427 1.00 0.00 H new ATOM 0 HG SER A 29 -17.205 13.901 -7.352 1.00 0.00 H new ATOM 457 N GLU A 30 -13.046 15.148 -4.217 1.00 0.00 N ATOM 458 CA GLU A 30 -11.777 14.833 -3.553 1.00 0.00 C ATOM 459 C GLU A 30 -11.299 13.416 -3.728 1.00 0.00 C ATOM 460 O GLU A 30 -10.103 13.186 -3.894 1.00 0.00 O ATOM 461 CB GLU A 30 -11.708 15.299 -2.099 1.00 0.00 C ATOM 462 CG GLU A 30 -12.817 14.869 -1.165 1.00 0.00 C ATOM 463 CD GLU A 30 -12.969 13.389 -0.948 1.00 0.00 C ATOM 464 OE1 GLU A 30 -13.930 12.807 -1.466 1.00 0.00 O ATOM 465 OE2 GLU A 30 -12.141 12.781 -0.224 1.00 0.00 O ATOM 0 H GLU A 30 -13.737 15.598 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.055 15.438 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.764 14.950 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.674 16.388 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.651 15.341 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.759 15.257 -1.552 1.00 0.00 H new ATOM 472 N ARG A 31 -12.222 12.482 -3.758 1.00 0.00 N ATOM 473 CA ARG A 31 -11.886 11.089 -3.885 1.00 0.00 C ATOM 474 C ARG A 31 -11.239 10.792 -5.231 1.00 0.00 C ATOM 475 O ARG A 31 -10.302 10.010 -5.311 1.00 0.00 O ATOM 476 CB ARG A 31 -13.113 10.203 -3.699 1.00 0.00 C ATOM 477 CG ARG A 31 -12.939 9.127 -2.645 1.00 0.00 C ATOM 478 CD ARG A 31 -12.717 9.761 -1.290 1.00 0.00 C ATOM 479 NE ARG A 31 -12.645 8.804 -0.202 1.00 0.00 N ATOM 480 CZ ARG A 31 -12.611 9.163 1.080 1.00 0.00 C ATOM 481 NH1 ARG A 31 -12.511 10.453 1.406 1.00 0.00 N ATOM 482 NH2 ARG A 31 -12.634 8.241 2.037 1.00 0.00 N ATOM 0 H ARG A 31 -13.223 12.669 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.168 10.864 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.963 10.829 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.355 9.730 -4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.822 8.488 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.092 8.490 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.793 10.338 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.526 10.464 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.619 7.810 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.461 11.162 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.485 10.731 2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.678 7.252 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.608 8.522 3.017 1.00 0.00 H new ATOM 496 N THR A 32 -11.690 11.474 -6.260 1.00 0.00 N ATOM 497 CA THR A 32 -11.231 11.235 -7.600 1.00 0.00 C ATOM 498 C THR A 32 -9.783 11.679 -7.723 1.00 0.00 C ATOM 499 O THR A 32 -8.928 10.958 -8.254 1.00 0.00 O ATOM 500 CB THR A 32 -12.116 12.013 -8.592 1.00 0.00 C ATOM 501 OG1 THR A 32 -13.491 11.803 -8.231 1.00 0.00 O ATOM 502 CG2 THR A 32 -11.889 11.511 -10.010 1.00 0.00 C ATOM 0 H THR A 32 -12.389 12.213 -6.185 1.00 0.00 H new ATOM 0 HA THR A 32 -11.296 10.171 -7.829 1.00 0.00 H new ATOM 0 HB THR A 32 -11.864 13.073 -8.552 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.071 12.293 -8.851 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.521 12.070 -10.700 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.843 11.651 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.140 10.452 -10.066 1.00 0.00 H new ATOM 510 N VAL A 33 -9.509 12.842 -7.166 1.00 0.00 N ATOM 511 CA VAL A 33 -8.189 13.413 -7.161 1.00 0.00 C ATOM 512 C VAL A 33 -7.306 12.541 -6.328 1.00 0.00 C ATOM 513 O VAL A 33 -6.163 12.292 -6.673 1.00 0.00 O ATOM 514 CB VAL A 33 -8.173 14.791 -6.507 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.203 15.689 -7.175 1.00 0.00 C ATOM 516 CG2 VAL A 33 -9.514 15.397 -6.457 1.00 0.00 C ATOM 0 H VAL A 33 -10.209 13.419 -6.700 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.856 13.494 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.848 14.651 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.214 16.664 -6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.203 15.260 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.477 15.805 -8.224 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.453 16.377 -5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.901 15.507 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.182 14.756 -5.881 1.00 0.00 H new ATOM 526 N SER A 34 -7.867 12.062 -5.229 1.00 0.00 N ATOM 527 CA SER A 34 -7.163 11.230 -4.332 1.00 0.00 C ATOM 528 C SER A 34 -6.718 9.943 -5.012 1.00 0.00 C ATOM 529 O SER A 34 -5.588 9.590 -4.913 1.00 0.00 O ATOM 530 CB SER A 34 -7.961 10.940 -3.055 1.00 0.00 C ATOM 531 OG SER A 34 -8.251 12.148 -2.346 1.00 0.00 O ATOM 0 H SER A 34 -8.830 12.254 -4.954 1.00 0.00 H new ATOM 0 HA SER A 34 -6.271 11.776 -4.026 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.891 10.432 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.395 10.265 -2.414 1.00 0.00 H new ATOM 0 HG SER A 34 -9.107 12.511 -2.655 1.00 0.00 H new ATOM 537 N LEU A 35 -7.607 9.290 -5.756 1.00 0.00 N ATOM 538 CA LEU A 35 -7.257 8.039 -6.444 1.00 0.00 C ATOM 539 C LEU A 35 -6.110 8.262 -7.443 1.00 0.00 C ATOM 540 O LEU A 35 -5.182 7.431 -7.559 1.00 0.00 O ATOM 541 CB LEU A 35 -8.477 7.458 -7.171 1.00 0.00 C ATOM 542 CG LEU A 35 -9.700 7.137 -6.303 1.00 0.00 C ATOM 543 CD1 LEU A 35 -10.834 6.601 -7.158 1.00 0.00 C ATOM 544 CD2 LEU A 35 -9.351 6.149 -5.195 1.00 0.00 C ATOM 0 H LEU A 35 -8.568 9.599 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.926 7.327 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.782 8.164 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.169 6.544 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.027 8.064 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.693 6.379 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.114 7.348 -7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.510 5.691 -7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.240 5.943 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.987 5.221 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.577 6.576 -4.557 1.00 0.00 H new ATOM 556 N LYS A 36 -6.169 9.388 -8.137 1.00 0.00 N ATOM 557 CA LYS A 36 -5.183 9.762 -9.112 1.00 0.00 C ATOM 558 C LYS A 36 -3.862 10.139 -8.487 1.00 0.00 C ATOM 559 O LYS A 36 -2.808 9.853 -9.023 1.00 0.00 O ATOM 560 CB LYS A 36 -5.706 10.899 -9.916 1.00 0.00 C ATOM 561 CG LYS A 36 -6.742 10.477 -10.908 1.00 0.00 C ATOM 562 CD LYS A 36 -7.653 11.601 -11.170 1.00 0.00 C ATOM 563 CE LYS A 36 -8.725 11.235 -12.176 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.183 11.083 -13.542 1.00 0.00 N ATOM 0 H LYS A 36 -6.919 10.071 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.996 8.896 -9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.133 11.646 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.879 11.377 -10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.265 10.157 -11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.301 9.623 -10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.122 11.914 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.082 12.452 -11.541 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.203 10.304 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.497 12.004 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.808 10.464 -14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.125 12.016 -13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.233 10.662 -13.494 1.00 0.00 H new ATOM 578 N LEU A 37 -3.931 10.780 -7.366 1.00 0.00 N ATOM 579 CA LEU A 37 -2.750 11.210 -6.685 1.00 0.00 C ATOM 580 C LEU A 37 -2.141 10.063 -5.998 1.00 0.00 C ATOM 581 O LEU A 37 -0.984 9.762 -6.184 1.00 0.00 O ATOM 582 CB LEU A 37 -3.114 12.227 -5.601 1.00 0.00 C ATOM 583 CG LEU A 37 -2.016 13.106 -5.056 1.00 0.00 C ATOM 584 CD1 LEU A 37 -2.558 14.474 -4.683 1.00 0.00 C ATOM 585 CD2 LEU A 37 -1.349 12.477 -3.840 1.00 0.00 C ATOM 0 H LEU A 37 -4.804 11.021 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.070 11.646 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.894 12.876 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.551 11.681 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.270 13.215 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.749 15.092 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.984 14.950 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.331 14.364 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.563 13.138 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.091 12.326 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.915 11.517 -4.119 1.00 0.00 H new ATOM 597 N ASN A 38 -2.968 9.386 -5.267 1.00 0.00 N ATOM 598 CA ASN A 38 -2.515 8.535 -4.256 1.00 0.00 C ATOM 599 C ASN A 38 -1.705 7.378 -4.770 1.00 0.00 C ATOM 600 O ASN A 38 -0.578 7.151 -4.309 1.00 0.00 O ATOM 601 CB ASN A 38 -3.641 8.009 -3.365 1.00 0.00 C ATOM 602 CG ASN A 38 -3.129 7.361 -2.077 1.00 0.00 C ATOM 603 OD1 ASN A 38 -2.898 8.044 -1.074 1.00 0.00 O ATOM 604 ND2 ASN A 38 -2.991 6.061 -2.070 1.00 0.00 N ATOM 0 H ASN A 38 -3.982 9.420 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.863 9.166 -3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.310 8.831 -3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.229 7.280 -3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.685 5.585 -1.221 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.189 5.523 -2.913 1.00 0.00 H new ATOM 611 N ASP A 39 -2.262 6.647 -5.741 1.00 0.00 N ATOM 612 CA ASP A 39 -1.613 5.413 -6.150 1.00 0.00 C ATOM 613 C ASP A 39 -2.209 4.761 -7.383 1.00 0.00 C ATOM 614 O ASP A 39 -1.530 3.959 -8.024 1.00 0.00 O ATOM 615 CB ASP A 39 -1.657 4.358 -5.001 1.00 0.00 C ATOM 616 CG ASP A 39 -3.071 3.852 -4.677 1.00 0.00 C ATOM 617 OD1 ASP A 39 -3.387 2.663 -4.957 1.00 0.00 O ATOM 618 OD2 ASP A 39 -3.894 4.628 -4.145 1.00 0.00 O ATOM 0 H ASP A 39 -3.123 6.880 -6.236 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.594 5.715 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.032 3.509 -5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.223 4.795 -4.102 1.00 0.00 H new ATOM 623 N LYS A 40 -3.447 5.058 -7.746 1.00 0.00 N ATOM 624 CA LYS A 40 -4.059 4.241 -8.722 1.00 0.00 C ATOM 625 C LYS A 40 -3.988 4.791 -10.084 1.00 0.00 C ATOM 626 O LYS A 40 -3.630 4.074 -11.028 1.00 0.00 O ATOM 627 CB LYS A 40 -5.501 4.010 -8.373 1.00 0.00 C ATOM 628 CG LYS A 40 -5.695 3.643 -6.928 1.00 0.00 C ATOM 629 CD LYS A 40 -7.084 3.168 -6.616 1.00 0.00 C ATOM 630 CE LYS A 40 -7.191 2.852 -5.137 1.00 0.00 C ATOM 631 NZ LYS A 40 -6.121 1.914 -4.693 1.00 0.00 N ATOM 0 H LYS A 40 -4.009 5.829 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.499 3.306 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.073 4.911 -8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.900 3.215 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.983 2.862 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.467 4.509 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.811 3.933 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.318 2.282 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.126 3.776 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.167 2.415 -4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.349 1.550 -3.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.055 1.121 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.211 2.416 -4.661 1.00 0.00 H new ATOM 645 N VAL A 41 -4.300 6.041 -10.222 1.00 0.00 N ATOM 646 CA VAL A 41 -4.545 6.517 -11.526 1.00 0.00 C ATOM 647 C VAL A 41 -3.679 7.730 -11.804 1.00 0.00 C ATOM 648 O VAL A 41 -2.768 8.017 -11.057 1.00 0.00 O ATOM 649 CB VAL A 41 -6.040 6.906 -11.689 1.00 0.00 C ATOM 650 CG1 VAL A 41 -6.543 6.276 -12.911 1.00 0.00 C ATOM 651 CG2 VAL A 41 -6.921 6.524 -10.505 1.00 0.00 C ATOM 0 H VAL A 41 -4.387 6.723 -9.469 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.303 5.724 -12.234 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.088 7.994 -11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.593 6.535 -13.048 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.968 6.630 -13.766 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.443 5.194 -12.830 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.948 6.832 -10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.887 5.444 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.559 7.023 -9.606 1.00 0.00 H new ATOM 661 N THR A 42 -3.959 8.409 -12.880 1.00 0.00 N ATOM 662 CA THR A 42 -3.279 9.620 -13.238 1.00 0.00 C ATOM 663 C THR A 42 -4.301 10.663 -13.662 1.00 0.00 C ATOM 664 O THR A 42 -5.488 10.333 -13.876 1.00 0.00 O ATOM 665 CB THR A 42 -2.259 9.365 -14.363 1.00 0.00 C ATOM 666 OG1 THR A 42 -2.780 8.368 -15.262 1.00 0.00 O ATOM 667 CG2 THR A 42 -0.910 8.921 -13.805 1.00 0.00 C ATOM 0 H THR A 42 -4.680 8.130 -13.545 1.00 0.00 H new ATOM 0 HA THR A 42 -2.728 9.989 -12.373 1.00 0.00 H new ATOM 0 HB THR A 42 -2.099 10.299 -14.902 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.133 8.205 -15.980 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.215 8.750 -14.627 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.514 9.697 -13.150 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.036 7.998 -13.239 1.00 0.00 H new ATOM 675 N TRP A 43 -3.877 11.894 -13.749 1.00 0.00 N ATOM 676 CA TRP A 43 -4.749 12.976 -14.132 1.00 0.00 C ATOM 677 C TRP A 43 -4.765 13.120 -15.634 1.00 0.00 C ATOM 678 O TRP A 43 -3.765 12.829 -16.306 1.00 0.00 O ATOM 679 CB TRP A 43 -4.279 14.297 -13.512 1.00 0.00 C ATOM 680 CG TRP A 43 -4.274 14.317 -12.017 1.00 0.00 C ATOM 681 CD1 TRP A 43 -5.312 14.646 -11.193 1.00 0.00 C ATOM 682 CD2 TRP A 43 -3.167 14.013 -11.168 1.00 0.00 C ATOM 683 NE1 TRP A 43 -4.916 14.554 -9.882 1.00 0.00 N ATOM 684 CE2 TRP A 43 -3.603 14.168 -9.840 1.00 0.00 C ATOM 685 CE3 TRP A 43 -1.849 13.619 -11.404 1.00 0.00 C ATOM 686 CZ2 TRP A 43 -2.765 13.947 -8.753 1.00 0.00 C ATOM 687 CZ3 TRP A 43 -1.022 13.401 -10.327 1.00 0.00 C ATOM 688 CH2 TRP A 43 -1.481 13.563 -9.018 1.00 0.00 C ATOM 0 H TRP A 43 -2.916 12.178 -13.557 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.751 12.746 -13.770 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.272 14.512 -13.868 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.922 15.101 -13.871 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.298 14.936 -11.524 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.505 14.743 -9.071 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.486 13.488 -12.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.115 14.074 -7.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.001 13.099 -10.497 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.805 13.380 -8.196 1.00 0.00 H new ATOM 699 N LYS A 44 -5.887 13.541 -16.157 1.00 0.00 N ATOM 700 CA LYS A 44 -6.008 13.837 -17.552 1.00 0.00 C ATOM 701 C LYS A 44 -5.346 15.169 -17.765 1.00 0.00 C ATOM 702 O LYS A 44 -5.265 15.964 -16.832 1.00 0.00 O ATOM 703 CB LYS A 44 -7.472 13.985 -17.970 1.00 0.00 C ATOM 704 CG LYS A 44 -7.662 13.894 -19.479 1.00 0.00 C ATOM 705 CD LYS A 44 -9.099 14.058 -19.886 1.00 0.00 C ATOM 706 CE LYS A 44 -9.258 13.993 -21.407 1.00 0.00 C ATOM 707 NZ LYS A 44 -8.527 15.083 -22.119 1.00 0.00 N ATOM 0 H LYS A 44 -6.743 13.687 -15.622 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.560 13.031 -18.133 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.065 13.209 -17.485 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.852 14.944 -17.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.060 14.661 -19.965 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.295 12.930 -19.831 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.702 13.278 -19.422 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.476 15.013 -19.519 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.897 13.028 -21.763 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.317 14.049 -21.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.754 15.048 -23.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.814 16.004 -21.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.503 14.957 -21.989 1.00 0.00 H new ATOM 721 N ASP A 45 -4.914 15.432 -18.965 1.00 0.00 N ATOM 722 CA ASP A 45 -4.312 16.716 -19.328 1.00 0.00 C ATOM 723 C ASP A 45 -5.271 17.856 -19.006 1.00 0.00 C ATOM 724 O ASP A 45 -4.864 18.886 -18.500 1.00 0.00 O ATOM 725 CB ASP A 45 -3.932 16.738 -20.820 1.00 0.00 C ATOM 726 CG ASP A 45 -5.141 16.655 -21.749 1.00 0.00 C ATOM 727 OD1 ASP A 45 -5.989 15.729 -21.572 1.00 0.00 O ATOM 728 OD2 ASP A 45 -5.248 17.476 -22.677 1.00 0.00 O ATOM 0 H ASP A 45 -4.963 14.767 -19.737 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.402 16.848 -18.743 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.379 17.653 -21.034 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.262 15.904 -21.030 1.00 0.00 H new ATOM 733 N ASP A 46 -6.550 17.618 -19.248 1.00 0.00 N ATOM 734 CA ASP A 46 -7.612 18.573 -18.929 1.00 0.00 C ATOM 735 C ASP A 46 -7.685 18.839 -17.436 1.00 0.00 C ATOM 736 O ASP A 46 -7.886 19.967 -17.015 1.00 0.00 O ATOM 737 CB ASP A 46 -8.961 18.072 -19.434 1.00 0.00 C ATOM 738 CG ASP A 46 -10.122 18.903 -18.917 1.00 0.00 C ATOM 739 OD1 ASP A 46 -10.294 20.038 -19.358 1.00 0.00 O ATOM 740 OD2 ASP A 46 -10.883 18.414 -18.067 1.00 0.00 O ATOM 0 H ASP A 46 -6.888 16.754 -19.673 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.372 19.509 -19.433 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.965 18.087 -20.524 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.097 17.035 -19.129 1.00 0.00 H new ATOM 745 N GLU A 47 -7.434 17.815 -16.650 1.00 0.00 N ATOM 746 CA GLU A 47 -7.514 17.940 -15.206 1.00 0.00 C ATOM 747 C GLU A 47 -6.293 18.722 -14.748 1.00 0.00 C ATOM 748 O GLU A 47 -6.382 19.660 -13.949 1.00 0.00 O ATOM 749 CB GLU A 47 -7.569 16.552 -14.529 1.00 0.00 C ATOM 750 CG GLU A 47 -8.709 15.654 -15.021 1.00 0.00 C ATOM 751 CD GLU A 47 -8.787 14.332 -14.288 1.00 0.00 C ATOM 752 OE1 GLU A 47 -7.826 13.551 -14.360 1.00 0.00 O ATOM 753 OE2 GLU A 47 -9.836 14.017 -13.697 1.00 0.00 O ATOM 0 H GLU A 47 -7.173 16.887 -16.983 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.428 18.462 -14.922 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.621 16.041 -14.698 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.670 16.690 -13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.655 16.183 -14.905 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.579 15.464 -16.086 1.00 0.00 H new ATOM 760 N ILE A 48 -5.162 18.377 -15.342 1.00 0.00 N ATOM 761 CA ILE A 48 -3.900 19.036 -15.084 1.00 0.00 C ATOM 762 C ILE A 48 -4.007 20.545 -15.384 1.00 0.00 C ATOM 763 O ILE A 48 -3.531 21.364 -14.602 1.00 0.00 O ATOM 764 CB ILE A 48 -2.747 18.388 -15.913 1.00 0.00 C ATOM 765 CG1 ILE A 48 -2.604 16.902 -15.545 1.00 0.00 C ATOM 766 CG2 ILE A 48 -1.437 19.116 -15.674 1.00 0.00 C ATOM 767 CD1 ILE A 48 -1.548 16.148 -16.330 1.00 0.00 C ATOM 0 H ILE A 48 -5.098 17.622 -16.025 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.663 18.910 -14.028 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.995 18.470 -16.971 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.369 16.827 -14.483 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.566 16.412 -15.694 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.648 18.647 -16.262 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.541 20.159 -15.972 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.180 19.065 -14.616 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.522 15.109 -16.000 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.789 16.185 -17.392 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.573 16.607 -16.163 1.00 0.00 H new ATOM 779 N LEU A 49 -4.701 20.894 -16.482 1.00 0.00 N ATOM 780 CA LEU A 49 -4.920 22.252 -16.893 1.00 0.00 C ATOM 781 C LEU A 49 -5.517 23.092 -15.770 1.00 0.00 C ATOM 782 O LEU A 49 -5.069 24.218 -15.521 1.00 0.00 O ATOM 783 CB LEU A 49 -5.876 22.266 -18.071 1.00 0.00 C ATOM 784 CG LEU A 49 -5.394 21.703 -19.405 1.00 0.00 C ATOM 785 CD1 LEU A 49 -6.490 21.859 -20.448 1.00 0.00 C ATOM 786 CD2 LEU A 49 -4.117 22.396 -19.864 1.00 0.00 C ATOM 0 H LEU A 49 -5.126 20.209 -17.107 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.956 22.680 -17.167 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.769 21.712 -17.780 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.182 23.299 -18.238 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.167 20.645 -19.276 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.146 21.457 -21.401 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.379 21.317 -20.125 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.732 22.915 -20.566 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.797 21.975 -20.817 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.305 23.463 -19.984 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.334 22.247 -19.120 1.00 0.00 H new ATOM 798 N LYS A 50 -6.496 22.530 -15.080 1.00 0.00 N ATOM 799 CA LYS A 50 -7.164 23.213 -14.014 1.00 0.00 C ATOM 800 C LYS A 50 -6.278 23.450 -12.832 1.00 0.00 C ATOM 801 O LYS A 50 -6.261 24.541 -12.266 1.00 0.00 O ATOM 802 CB LYS A 50 -8.398 22.500 -13.613 1.00 0.00 C ATOM 803 CG LYS A 50 -9.545 22.890 -14.497 1.00 0.00 C ATOM 804 CD LYS A 50 -9.429 22.321 -15.902 1.00 0.00 C ATOM 805 CE LYS A 50 -10.455 22.911 -16.825 1.00 0.00 C ATOM 806 NZ LYS A 50 -10.359 22.368 -18.198 1.00 0.00 N ATOM 0 H LYS A 50 -6.841 21.586 -15.253 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.440 24.194 -14.401 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.237 21.423 -13.671 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.637 22.731 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.477 22.547 -14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.600 23.977 -14.554 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.431 22.518 -16.293 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.550 21.238 -15.868 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.451 22.715 -16.429 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.332 23.994 -16.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.185 22.674 -18.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.491 22.719 -18.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.333 21.329 -18.159 1.00 0.00 H new ATOM 820 N ALA A 51 -5.499 22.444 -12.489 1.00 0.00 N ATOM 821 CA ALA A 51 -4.567 22.543 -11.383 1.00 0.00 C ATOM 822 C ALA A 51 -3.507 23.597 -11.684 1.00 0.00 C ATOM 823 O ALA A 51 -3.265 24.470 -10.875 1.00 0.00 O ATOM 824 CB ALA A 51 -3.932 21.196 -11.102 1.00 0.00 C ATOM 0 H ALA A 51 -5.493 21.542 -12.964 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.111 22.850 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.235 21.289 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -4.708 20.474 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.395 20.855 -11.987 1.00 0.00 H new ATOM 830 N VAL A 52 -2.936 23.542 -12.887 1.00 0.00 N ATOM 831 CA VAL A 52 -1.911 24.509 -13.357 1.00 0.00 C ATOM 832 C VAL A 52 -2.429 25.954 -13.272 1.00 0.00 C ATOM 833 O VAL A 52 -1.670 26.888 -12.985 1.00 0.00 O ATOM 834 CB VAL A 52 -1.490 24.180 -14.828 1.00 0.00 C ATOM 835 CG1 VAL A 52 -0.538 25.214 -15.409 1.00 0.00 C ATOM 836 CG2 VAL A 52 -0.838 22.825 -14.886 1.00 0.00 C ATOM 0 H VAL A 52 -3.164 22.826 -13.576 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.042 24.419 -12.705 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.401 24.192 -15.427 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.279 24.936 -16.431 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.019 26.192 -15.410 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.367 25.256 -14.804 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.548 22.604 -15.913 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.047 22.820 -14.250 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.540 22.068 -14.536 1.00 0.00 H new ATOM 846 N HIS A 53 -3.724 26.105 -13.464 1.00 0.00 N ATOM 847 CA HIS A 53 -4.385 27.407 -13.445 1.00 0.00 C ATOM 848 C HIS A 53 -4.465 27.955 -12.033 1.00 0.00 C ATOM 849 O HIS A 53 -4.336 29.155 -11.805 1.00 0.00 O ATOM 850 CB HIS A 53 -5.804 27.256 -13.985 1.00 0.00 C ATOM 851 CG HIS A 53 -6.559 28.548 -14.154 1.00 0.00 C ATOM 852 ND1 HIS A 53 -7.509 29.000 -13.260 1.00 0.00 N ATOM 853 CD2 HIS A 53 -6.504 29.472 -15.128 1.00 0.00 C ATOM 854 CE1 HIS A 53 -7.998 30.139 -13.685 1.00 0.00 C ATOM 855 NE2 HIS A 53 -7.405 30.449 -14.811 1.00 0.00 N ATOM 0 H HIS A 53 -4.358 25.325 -13.639 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.806 28.095 -14.061 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.758 26.750 -14.949 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.366 26.609 -13.312 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.866 29.447 -15.999 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.760 30.723 -13.191 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.587 31.287 -15.364 1.00 0.00 H new ATOM 863 N VAL A 54 -4.662 27.071 -11.107 1.00 0.00 N ATOM 864 CA VAL A 54 -4.902 27.442 -9.727 1.00 0.00 C ATOM 865 C VAL A 54 -3.593 27.547 -8.985 1.00 0.00 C ATOM 866 O VAL A 54 -3.273 28.563 -8.373 1.00 0.00 O ATOM 867 CB VAL A 54 -5.821 26.392 -9.035 1.00 0.00 C ATOM 868 CG1 VAL A 54 -5.987 26.689 -7.551 1.00 0.00 C ATOM 869 CG2 VAL A 54 -7.184 26.342 -9.715 1.00 0.00 C ATOM 0 H VAL A 54 -4.663 26.065 -11.276 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.401 28.411 -9.709 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.340 25.419 -9.133 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.634 25.937 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.012 26.668 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.434 27.675 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.812 25.603 -9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.658 27.322 -9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.058 26.066 -10.762 1.00 0.00 H new ATOM 879 N LEU A 55 -2.830 26.506 -9.100 1.00 0.00 N ATOM 880 CA LEU A 55 -1.580 26.322 -8.460 1.00 0.00 C ATOM 881 C LEU A 55 -0.498 27.214 -9.063 1.00 0.00 C ATOM 882 O LEU A 55 0.604 27.318 -8.516 1.00 0.00 O ATOM 883 CB LEU A 55 -1.248 24.861 -8.646 1.00 0.00 C ATOM 884 CG LEU A 55 -1.950 23.808 -7.740 1.00 0.00 C ATOM 885 CD1 LEU A 55 -1.262 23.670 -6.415 1.00 0.00 C ATOM 886 CD2 LEU A 55 -3.425 24.100 -7.489 1.00 0.00 C ATOM 0 H LEU A 55 -3.088 25.712 -9.685 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.630 26.597 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.467 24.603 -9.682 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.172 24.748 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.881 22.876 -8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.781 22.926 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.231 23.354 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.273 24.629 -5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.846 23.324 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.526 25.068 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.959 24.117 -8.439 1.00 0.00 H new ATOM 898 N GLU A 56 -0.844 27.862 -10.174 1.00 0.00 N ATOM 899 CA GLU A 56 0.033 28.754 -10.909 1.00 0.00 C ATOM 900 C GLU A 56 1.297 28.034 -11.319 1.00 0.00 C ATOM 901 O GLU A 56 2.398 28.300 -10.803 1.00 0.00 O ATOM 902 CB GLU A 56 0.331 30.051 -10.140 1.00 0.00 C ATOM 903 CG GLU A 56 -0.908 30.874 -9.826 1.00 0.00 C ATOM 904 CD GLU A 56 -0.583 32.146 -9.092 1.00 0.00 C ATOM 905 OE1 GLU A 56 -0.688 32.181 -7.851 1.00 0.00 O ATOM 906 OE2 GLU A 56 -0.218 33.142 -9.737 1.00 0.00 O ATOM 0 H GLU A 56 -1.769 27.774 -10.594 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.491 29.059 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.837 29.802 -9.207 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.022 30.659 -10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.425 31.116 -10.755 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.594 30.277 -9.226 1.00 0.00 H new ATOM 913 N LEU A 57 1.125 27.085 -12.190 1.00 0.00 N ATOM 914 CA LEU A 57 2.209 26.269 -12.656 1.00 0.00 C ATOM 915 C LEU A 57 2.440 26.516 -14.135 1.00 0.00 C ATOM 916 O LEU A 57 1.881 27.460 -14.703 1.00 0.00 O ATOM 917 CB LEU A 57 1.910 24.805 -12.399 1.00 0.00 C ATOM 918 CG LEU A 57 1.615 24.396 -10.943 1.00 0.00 C ATOM 919 CD1 LEU A 57 1.336 22.906 -10.850 1.00 0.00 C ATOM 920 CD2 LEU A 57 2.761 24.785 -10.011 1.00 0.00 C ATOM 0 H LEU A 57 0.221 26.852 -12.601 1.00 0.00 H new ATOM 0 HA LEU A 57 3.116 26.534 -12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.053 24.522 -13.011 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.760 24.219 -12.750 1.00 0.00 H new ATOM 0 HG LEU A 57 0.725 24.937 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.130 22.638 -9.814 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.472 22.658 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.205 22.350 -11.202 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.520 24.482 -8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.676 24.286 -10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.906 25.865 -10.044 1.00 0.00 H new ATOM 932 N ASN A 58 3.233 25.689 -14.755 1.00 0.00 N ATOM 933 CA ASN A 58 3.540 25.815 -16.158 1.00 0.00 C ATOM 934 C ASN A 58 3.559 24.405 -16.760 1.00 0.00 C ATOM 935 O ASN A 58 3.817 23.454 -16.030 1.00 0.00 O ATOM 936 CB ASN A 58 4.930 26.471 -16.298 1.00 0.00 C ATOM 937 CG ASN A 58 5.282 26.830 -17.719 1.00 0.00 C ATOM 938 OD1 ASN A 58 5.854 26.029 -18.467 1.00 0.00 O ATOM 939 ND2 ASN A 58 4.948 28.019 -18.103 1.00 0.00 N ATOM 0 H ASN A 58 3.691 24.900 -14.299 1.00 0.00 H new ATOM 0 HA ASN A 58 2.802 26.429 -16.674 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.962 27.372 -15.685 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.686 25.791 -15.905 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.156 28.325 -19.054 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.477 28.651 -17.455 1.00 0.00 H new ATOM 946 N PRO A 59 3.239 24.227 -18.071 1.00 0.00 N ATOM 947 CA PRO A 59 3.333 22.912 -18.764 1.00 0.00 C ATOM 948 C PRO A 59 4.713 22.252 -18.593 1.00 0.00 C ATOM 949 O PRO A 59 4.844 21.029 -18.574 1.00 0.00 O ATOM 950 CB PRO A 59 3.138 23.280 -20.228 1.00 0.00 C ATOM 951 CG PRO A 59 2.304 24.502 -20.197 1.00 0.00 C ATOM 952 CD PRO A 59 2.699 25.262 -18.968 1.00 0.00 C ATOM 0 HA PRO A 59 2.610 22.199 -18.369 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.092 23.464 -20.721 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.645 22.477 -20.776 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.465 25.103 -21.092 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.245 24.247 -20.170 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.444 26.025 -19.192 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.845 25.772 -18.522 1.00 0.00 H new ATOM 960 N GLN A 60 5.723 23.070 -18.465 1.00 0.00 N ATOM 961 CA GLN A 60 7.090 22.586 -18.263 1.00 0.00 C ATOM 962 C GLN A 60 7.345 22.168 -16.808 1.00 0.00 C ATOM 963 O GLN A 60 8.350 21.538 -16.501 1.00 0.00 O ATOM 964 CB GLN A 60 8.100 23.639 -18.709 1.00 0.00 C ATOM 965 CG GLN A 60 8.095 23.888 -20.209 1.00 0.00 C ATOM 966 CD GLN A 60 8.550 22.674 -20.990 1.00 0.00 C ATOM 967 OE1 GLN A 60 7.749 21.818 -21.374 1.00 0.00 O ATOM 968 NE2 GLN A 60 9.830 22.588 -21.228 1.00 0.00 N ATOM 0 H GLN A 60 5.638 24.086 -18.495 1.00 0.00 H new ATOM 0 HA GLN A 60 7.216 21.695 -18.879 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.889 24.575 -18.193 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.098 23.325 -18.404 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.090 24.167 -20.526 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.747 24.731 -20.438 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.461 23.316 -20.894 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.200 21.792 -21.748 1.00 0.00 H new ATOM 977 N ASP A 61 6.426 22.507 -15.919 1.00 0.00 N ATOM 978 CA ASP A 61 6.526 22.193 -14.539 1.00 0.00 C ATOM 979 C ASP A 61 5.757 20.936 -14.216 1.00 0.00 C ATOM 980 O ASP A 61 5.816 20.435 -13.109 1.00 0.00 O ATOM 981 CB ASP A 61 5.974 23.340 -13.735 1.00 0.00 C ATOM 982 CG ASP A 61 6.984 24.395 -13.381 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.642 24.295 -12.326 1.00 0.00 O ATOM 984 OD2 ASP A 61 7.126 25.361 -14.129 1.00 0.00 O ATOM 0 H ASP A 61 5.578 23.019 -16.162 1.00 0.00 H new ATOM 0 HA ASP A 61 7.574 22.027 -14.290 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.164 23.804 -14.297 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.540 22.947 -12.816 1.00 0.00 H new ATOM 989 N ILE A 62 5.063 20.413 -15.195 1.00 0.00 N ATOM 990 CA ILE A 62 4.234 19.225 -15.018 1.00 0.00 C ATOM 991 C ILE A 62 4.996 17.995 -14.436 1.00 0.00 C ATOM 992 O ILE A 62 4.536 17.408 -13.437 1.00 0.00 O ATOM 993 CB ILE A 62 3.464 18.851 -16.311 1.00 0.00 C ATOM 994 CG1 ILE A 62 2.600 20.033 -16.758 1.00 0.00 C ATOM 995 CG2 ILE A 62 2.605 17.607 -16.113 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.711 20.606 -15.683 1.00 0.00 C ATOM 0 H ILE A 62 5.050 20.792 -16.142 1.00 0.00 H new ATOM 0 HA ILE A 62 3.504 19.506 -14.259 1.00 0.00 H new ATOM 0 HB ILE A 62 4.194 18.623 -17.088 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.253 20.823 -17.130 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.977 19.715 -17.594 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.081 17.376 -17.040 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.241 16.766 -15.836 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.879 17.789 -15.321 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.137 21.438 -16.091 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.029 19.835 -15.326 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.324 20.960 -14.854 1.00 0.00 H new ATOM 1008 N PRO A 63 6.205 17.616 -14.967 1.00 0.00 N ATOM 1009 CA PRO A 63 6.926 16.438 -14.465 1.00 0.00 C ATOM 1010 C PRO A 63 7.598 16.724 -13.136 1.00 0.00 C ATOM 1011 O PRO A 63 8.081 15.832 -12.453 1.00 0.00 O ATOM 1012 CB PRO A 63 7.966 16.181 -15.538 1.00 0.00 C ATOM 1013 CG PRO A 63 8.261 17.514 -16.114 1.00 0.00 C ATOM 1014 CD PRO A 63 6.974 18.283 -16.062 1.00 0.00 C ATOM 0 HA PRO A 63 6.266 15.589 -14.286 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.863 15.726 -15.117 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.588 15.497 -16.298 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.041 18.020 -15.545 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.621 17.425 -17.139 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.146 19.337 -15.845 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.441 18.236 -17.012 1.00 0.00 H new ATOM 1022 N LYS A 64 7.603 17.972 -12.786 1.00 0.00 N ATOM 1023 CA LYS A 64 8.199 18.430 -11.559 1.00 0.00 C ATOM 1024 C LYS A 64 7.190 18.286 -10.425 1.00 0.00 C ATOM 1025 O LYS A 64 7.548 18.247 -9.265 1.00 0.00 O ATOM 1026 CB LYS A 64 8.585 19.903 -11.671 1.00 0.00 C ATOM 1027 CG LYS A 64 9.336 20.290 -12.938 1.00 0.00 C ATOM 1028 CD LYS A 64 9.742 21.751 -12.867 1.00 0.00 C ATOM 1029 CE LYS A 64 10.342 22.249 -14.164 1.00 0.00 C ATOM 1030 NZ LYS A 64 10.645 23.691 -14.097 1.00 0.00 N ATOM 0 H LYS A 64 7.189 18.716 -13.348 1.00 0.00 H new ATOM 0 HA LYS A 64 9.089 17.833 -11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.678 20.504 -11.610 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.200 20.166 -10.810 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.220 19.662 -13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.707 20.120 -13.812 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.870 22.356 -12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.464 21.886 -12.061 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.254 21.694 -14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.649 22.059 -14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.055 24.002 -15.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.770 24.222 -13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.324 23.868 -13.330 1.00 0.00 H new ATOM 1044 N TYR A 65 5.922 18.222 -10.772 1.00 0.00 N ATOM 1045 CA TYR A 65 4.883 18.160 -9.786 1.00 0.00 C ATOM 1046 C TYR A 65 4.088 16.873 -9.838 1.00 0.00 C ATOM 1047 O TYR A 65 4.191 16.040 -8.948 1.00 0.00 O ATOM 1048 CB TYR A 65 3.959 19.357 -9.934 1.00 0.00 C ATOM 1049 CG TYR A 65 4.582 20.655 -9.502 1.00 0.00 C ATOM 1050 CD1 TYR A 65 5.236 21.465 -10.395 1.00 0.00 C ATOM 1051 CD2 TYR A 65 4.524 21.050 -8.192 1.00 0.00 C ATOM 1052 CE1 TYR A 65 5.818 22.636 -9.999 1.00 0.00 C ATOM 1053 CE2 TYR A 65 5.100 22.230 -7.770 1.00 0.00 C ATOM 1054 CZ TYR A 65 5.751 23.019 -8.684 1.00 0.00 C ATOM 1055 OH TYR A 65 6.335 24.208 -8.287 1.00 0.00 O ATOM 0 H TYR A 65 5.592 18.212 -11.737 1.00 0.00 H new ATOM 0 HA TYR A 65 5.369 18.183 -8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.651 19.441 -10.976 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.057 19.184 -9.347 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.292 21.171 -11.433 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.016 20.424 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.329 23.258 -10.719 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.039 22.529 -6.734 1.00 0.00 H new ATOM 0 HH TYR A 65 6.198 24.334 -7.325 1.00 0.00 H new ATOM 1065 N PHE A 66 3.354 16.689 -10.911 1.00 0.00 N ATOM 1066 CA PHE A 66 2.408 15.585 -11.021 1.00 0.00 C ATOM 1067 C PHE A 66 3.104 14.267 -11.270 1.00 0.00 C ATOM 1068 O PHE A 66 2.565 13.210 -10.997 1.00 0.00 O ATOM 1069 CB PHE A 66 1.387 15.869 -12.130 1.00 0.00 C ATOM 1070 CG PHE A 66 0.599 17.130 -11.908 1.00 0.00 C ATOM 1071 CD1 PHE A 66 -0.564 17.109 -11.160 1.00 0.00 C ATOM 1072 CD2 PHE A 66 1.030 18.338 -12.434 1.00 0.00 C ATOM 1073 CE1 PHE A 66 -1.281 18.263 -10.940 1.00 0.00 C ATOM 1074 CE2 PHE A 66 0.315 19.495 -12.219 1.00 0.00 C ATOM 1075 CZ PHE A 66 -0.840 19.457 -11.470 1.00 0.00 C ATOM 0 H PHE A 66 3.390 17.293 -11.732 1.00 0.00 H new ATOM 0 HA PHE A 66 1.887 15.503 -10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.909 15.939 -13.085 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.698 15.027 -12.204 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.914 16.176 -10.744 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.937 18.372 -13.019 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.187 18.233 -10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.659 20.430 -12.637 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.401 20.364 -11.298 1.00 0.00 H new ATOM 1085 N PHE A 67 4.300 14.330 -11.792 1.00 0.00 N ATOM 1086 CA PHE A 67 5.038 13.123 -12.082 1.00 0.00 C ATOM 1087 C PHE A 67 6.409 13.208 -11.472 1.00 0.00 C ATOM 1088 O PHE A 67 7.347 12.574 -11.959 1.00 0.00 O ATOM 1089 CB PHE A 67 5.137 12.887 -13.590 1.00 0.00 C ATOM 1090 CG PHE A 67 3.811 12.907 -14.289 1.00 0.00 C ATOM 1091 CD1 PHE A 67 3.054 11.760 -14.396 1.00 0.00 C ATOM 1092 CD2 PHE A 67 3.328 14.076 -14.830 1.00 0.00 C ATOM 1093 CE1 PHE A 67 1.831 11.774 -15.035 1.00 0.00 C ATOM 1094 CE2 PHE A 67 2.104 14.104 -15.471 1.00 0.00 C ATOM 1095 CZ PHE A 67 1.356 12.950 -15.575 1.00 0.00 C ATOM 0 H PHE A 67 4.784 15.197 -12.025 1.00 0.00 H new ATOM 0 HA PHE A 67 4.504 12.278 -11.648 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.780 13.651 -14.027 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.618 11.925 -13.768 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.423 10.837 -13.974 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.912 14.981 -14.753 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.249 10.868 -15.112 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.734 15.028 -15.890 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.401 12.968 -16.078 1.00 0.00 H new ATOM 1105 N ASN A 68 6.502 14.002 -10.395 1.00 0.00 N ATOM 1106 CA ASN A 68 7.666 14.211 -9.619 1.00 0.00 C ATOM 1107 C ASN A 68 8.434 12.929 -9.342 1.00 0.00 C ATOM 1108 O ASN A 68 9.400 12.613 -10.047 1.00 0.00 O ATOM 1109 CB ASN A 68 7.210 14.859 -8.326 1.00 0.00 C ATOM 1110 CG ASN A 68 8.320 15.279 -7.471 1.00 0.00 C ATOM 1111 OD1 ASN A 68 8.821 14.525 -6.638 1.00 0.00 O ATOM 1112 ND2 ASN A 68 8.696 16.461 -7.641 1.00 0.00 N ATOM 0 H ASN A 68 5.703 14.532 -10.048 1.00 0.00 H new ATOM 0 HA ASN A 68 8.362 14.846 -10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.591 15.725 -8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.582 14.157 -7.777 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.453 16.842 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.245 17.043 -8.347 1.00 0.00 H new ATOM 1119 N ALA A 69 7.997 12.205 -8.322 1.00 0.00 N ATOM 1120 CA ALA A 69 8.607 10.934 -7.871 1.00 0.00 C ATOM 1121 C ALA A 69 10.102 11.099 -7.619 1.00 0.00 C ATOM 1122 O ALA A 69 10.862 10.131 -7.608 1.00 0.00 O ATOM 1123 CB ALA A 69 8.362 9.824 -8.889 1.00 0.00 C ATOM 0 H ALA A 69 7.190 12.480 -7.763 1.00 0.00 H new ATOM 0 HA ALA A 69 8.132 10.655 -6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.819 8.900 -8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.289 9.674 -9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.802 10.104 -9.846 1.00 0.00 H new ATOM 1129 N LYS A 70 10.492 12.302 -7.342 1.00 0.00 N ATOM 1130 CA LYS A 70 11.874 12.628 -7.250 1.00 0.00 C ATOM 1131 C LYS A 70 12.243 13.119 -5.888 1.00 0.00 C ATOM 1132 O LYS A 70 12.167 14.314 -5.579 1.00 0.00 O ATOM 1133 CB LYS A 70 12.279 13.601 -8.371 1.00 0.00 C ATOM 1134 CG LYS A 70 13.764 13.929 -8.417 1.00 0.00 C ATOM 1135 CD LYS A 70 14.145 14.717 -9.674 1.00 0.00 C ATOM 1136 CE LYS A 70 13.963 13.888 -10.959 1.00 0.00 C ATOM 1137 NZ LYS A 70 14.796 12.659 -10.958 1.00 0.00 N ATOM 0 H LYS A 70 9.859 13.084 -7.174 1.00 0.00 H new ATOM 0 HA LYS A 70 12.450 11.714 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.985 13.174 -9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.719 14.528 -8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.034 14.506 -7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.340 13.004 -8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.534 15.617 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.183 15.041 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.914 13.613 -11.066 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.222 14.500 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.814 12.251 -11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.765 12.897 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.393 11.967 -10.294 1.00 0.00 H new ATOM 1151 N VAL A 71 12.585 12.181 -5.063 1.00 0.00 N ATOM 1152 CA VAL A 71 13.066 12.454 -3.756 1.00 0.00 C ATOM 1153 C VAL A 71 14.571 12.320 -3.748 1.00 0.00 C ATOM 1154 O VAL A 71 15.132 11.222 -3.695 1.00 0.00 O ATOM 1155 CB VAL A 71 12.385 11.582 -2.655 1.00 0.00 C ATOM 1156 CG1 VAL A 71 10.957 12.048 -2.450 1.00 0.00 C ATOM 1157 CG2 VAL A 71 12.387 10.094 -3.027 1.00 0.00 C ATOM 0 H VAL A 71 12.535 11.187 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 71 12.797 13.479 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 71 12.956 11.700 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 10.482 11.439 -1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.956 13.092 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.404 11.949 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 71 11.904 9.520 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.844 9.952 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.414 9.751 -3.149 1.00 0.00 H new ATOM 1167 N HIS A 72 15.216 13.419 -3.936 1.00 0.00 N ATOM 1168 CA HIS A 72 16.652 13.443 -3.952 1.00 0.00 C ATOM 1169 C HIS A 72 17.152 14.283 -2.797 1.00 0.00 C ATOM 1170 O HIS A 72 17.437 13.713 -1.738 1.00 0.00 O ATOM 1171 CB HIS A 72 17.246 13.882 -5.340 1.00 0.00 C ATOM 1172 CG HIS A 72 16.990 15.310 -5.775 1.00 0.00 C ATOM 1173 ND1 HIS A 72 17.999 16.177 -6.104 1.00 0.00 N ATOM 1174 CD2 HIS A 72 15.840 16.003 -5.947 1.00 0.00 C ATOM 1175 CE1 HIS A 72 17.495 17.333 -6.452 1.00 0.00 C ATOM 1176 NE2 HIS A 72 16.182 17.259 -6.368 1.00 0.00 N ATOM 0 H HIS A 72 14.773 14.326 -4.083 1.00 0.00 H new ATOM 0 HA HIS A 72 17.015 12.424 -3.817 1.00 0.00 H new ATOM 0 HB2 HIS A 72 18.324 13.724 -5.313 1.00 0.00 H new ATOM 0 HB3 HIS A 72 16.846 13.217 -6.106 1.00 0.00 H new ATOM 0 HD2 HIS A 72 14.839 15.633 -5.782 1.00 0.00 H new ATOM 0 HE1 HIS A 72 18.060 18.202 -6.757 1.00 0.00 H new ATOM 0 HE2 HIS A 72 15.529 18.013 -6.581 1.00 0.00 H new TER 1184 HIS A 72